SCHEMBL8628611

SCHEMBL8628611

COc1cc(NC(=O)c2ccccc2Cl)ccc1C(=O)N1c2ccc(Cl)cc2CCCC1OCCSc1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 7/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
AVPR2 P30518 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
AVPR1A P37288 1/20 0.38
HSD17B10 Q99714 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8630765 0.91 GRM4 (0.40) GRM4TP53LMNAKMT2AMEN1
SCHEMBL8631655 0.89 GRM4 (0.40) GRM4TP53LMNAKMT2AMEN1
SCHEMBL8628504 0.88 GRM4 (0.42) GRM4TP53LMNAKMT2AMEN1
SCHEMBL8630997 0.88 GRM4 (0.42) GRM4TP53LMNAKMT2AMEN1
SCHEMBL8627405 0.87 GRM4 (0.41) GRM4TP53LMNAKMT2AMEN1
SCHEMBL8628615 0.85 GRM4 (0.40) GRM4TP53LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL8630791 0.84 GRM4 (0.41) GRM4TP53LMNAKMT2AMEN1
SCHEMBL4686395 0.83 AVPR2 (0.50) GRM4AVPR2AVPR1A
SCHEMBL8631926 0.83 AVPR2 (0.44) GRM4TP53LMNAKMT2AMEN1
SCHEMBL8628510 0.82 GRM4 (0.40) GRM4TP53LMNAKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed